SCHEMBL3767533

SCHEMBL3767533

CC1CC(C)CN(C(=O)c2ccc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)nc2)C1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 8/20 0.51
HRH3 Q9Y5N1 12/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3773373 0.89 KDM4E (0.52) ADRA1AHRH3
SCHEMBL3765811 0.88 KDM4E (0.54) ADRA1AHRH3
SCHEMBL13005941 0.88 KDM4E (0.54) ADRA1AHRH3
SCHEMBL3773378 0.86 L3MBTL3 (0.48) HRH3
SCHEMBL3774013 0.86 HRH3 (0.66) ADRA1AHRH3
SCHEMBL13006015 0.85 HRH3 (0.49) ADRA1AHRH3
SCHEMBL13006636 0.85 HRH3 (0.48) ADRA1AHRH3
SCHEMBL3780602 0.85 HRH3 (0.49) ADRA1AHRH3
SCHEMBL3768152 0.84 HRH3 (0.63) ADRA1AHRH3
SCHEMBL3771187 0.84 HRH3 (0.47) ADRA1AHRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 ADRA1A 365/4885HRH3 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.